SCHEMBL6712425

SCHEMBL6712425

CCCCCOc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3noc(=O)[nH]3)n(C)c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
GRIK1 P39086 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
GRM5 P41594 1/20 0.35
CNR2 P34972 8/20 0.35
PDE5A O76074 1/20 0.34
FAAH O00519 2/20 0.34
PLA2G2A P14555 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6709918 0.93 GRIK1 (0.38) GRIK1LMNAMAPTGRM5PDE5A
SCHEMBL6710289 0.92 GRIK1 (0.36) GRIK1LMNAMAPTAKR1C2AKR1C1
SCHEMBL6710044 0.91 GRIK1 (0.36) TP53TSHRGRIK1LMNAMAPT
SCHEMBL6709189 0.91 GRIK1 (0.39) TP53TSHRGRIK1LMNAMAPT
SCHEMBL6710160 0.89 TP53 (0.36) TP53TSHRLMNAMAPTCNR2
SCHEMBL6708956 0.89 LRRK2 (0.38) GRIK1LMNAMAPT
SCHEMBL6713672 0.88 GRIK1 (0.36) TP53TSHRGRIK1LMNAMAPT
SCHEMBL6711788 0.88 KDM1A (0.36) GRIK1LMNAMAPTGRM5CNR2
SCHEMBL6710032 0.87 GRIK1 (0.36) GRIK1LMNAMAPTGRM5
SCHEMBL6710035 0.87 GRIK1 (0.36) GRIK1LMNAMAPTGRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 TP53 2699/4885TSHR 3901/4885GRIK1 3885/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.